1-[(4-fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol

C6H9FN4O — CID 173314858

IUPAC1-[(4-fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol
SMILESCC(O)CNc1ncnc(F)n1
InChIInChI=1S/C6H9FN4O/c1-4(12)2-8-6-10-3-9-5(7)11-6/h3-4,12H,2H2,1H3,(H,8,9,10,11)
InChIKeyCWVDWEZAYBGRJX-UHFFFAOYSA-N
MW172.16 g/mol
LogP-0.20
Rot. Bonds3

About 1-[(4-fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol

1-[(4-fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol (PubChem CID 173314858) has the molecular formula C6H9FN4O and a molecular weight of 172.16 g/mol. Its IUPAC name is 1-[(4-fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol
PubChem CID173314858
Molecular FormulaC6H9FN4O
Molecular Weight172.16 g/mol
Exact Mass172.08
IUPAC Name1-[(4-fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol
SMILESCC(O)CNc1ncnc(F)n1
InChIInChI=1S/C6H9FN4O/c1-4(12)2-8-6-10-3-9-5(7)11-6/h3-4,12H,2H2,1H3,(H,8,9,10,11)
InChIKeyCWVDWEZAYBGRJX-UHFFFAOYSA-N
XLogP-0.20
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[(4-fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol (CID 173314858) is 1-[(4-fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(4-fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(4-fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol is CC(O)CNc1ncnc(F)n1.
What is the InChIKey of 1-[(4-fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol?
The InChIKey is CWVDWEZAYBGRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4O/c1-4(12)2-8-6-10-3-9-5(7)11-6/h3-4,12H,2H2,1H3,(H,8,9,10,11).
What are the key properties of 1-[(4-fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol?
1-[(4-fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol has a molecular weight of 172.16 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 173314858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).